[2-(4-fluorophenyl)phenyl] N,N-di(propan-2-yl)carbamate

C19H22FNO2 — CID 101050040

IUPAC[2-(4-fluorophenyl)phenyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)Oc1ccccc1-c1ccc(F)cc1)C(C)C
InChIInChI=1S/C19H22FNO2/c1-13(2)21(14(3)4)19(22)23-18-8-6-5-7-17(18)15-9-11-16(20)12-10-15/h5-14H,1-4H3
InChIKeyMLUBMYIDTBZRBE-UHFFFAOYSA-N
MW315.39 g/mol
LogP5.11
Rot. Bonds4

About [2-(4-fluorophenyl)phenyl] N,N-di(propan-2-yl)carbamate

[2-(4-fluorophenyl)phenyl] N,N-di(propan-2-yl)carbamate (PubChem CID 101050040) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is [2-(4-fluorophenyl)phenyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)phenyl] N,N-di(propan-2-yl)carbamate
PubChem CID101050040
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name[2-(4-fluorophenyl)phenyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)Oc1ccccc1-c1ccc(F)cc1)C(C)C
InChIInChI=1S/C19H22FNO2/c1-13(2)21(14(3)4)19(22)23-18-8-6-5-7-17(18)15-9-11-16(20)12-10-15/h5-14H,1-4H3
InChIKeyMLUBMYIDTBZRBE-UHFFFAOYSA-N
XLogP5.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.39
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)phenyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [2-(4-fluorophenyl)phenyl] N,N-di(propan-2-yl)carbamate (CID 101050040) is [2-(4-fluorophenyl)phenyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [2-(4-fluorophenyl)phenyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [2-(4-fluorophenyl)phenyl] N,N-di(propan-2-yl)carbamate is CC(C)N(C(=O)Oc1ccccc1-c1ccc(F)cc1)C(C)C.
What is the InChIKey of [2-(4-fluorophenyl)phenyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is MLUBMYIDTBZRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-13(2)21(14(3)4)19(22)23-18-8-6-5-7-17(18)15-9-11-16(20)12-10-15/h5-14H,1-4H3.
What are the key properties of [2-(4-fluorophenyl)phenyl] N,N-di(propan-2-yl)carbamate?
[2-(4-fluorophenyl)phenyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 315.39 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)phenyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 101050040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).